SCHEMBL8909049

SCHEMBL8909049

C=CCOc1ccc(C[N+]2([O-])CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPY2R P49146 1/20 0.38
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TEAD1 P28347 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MAOB P27338 1/20 0.31
AOC3 Q16853 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8948324 0.86 CCR6 (0.40) CCR6KCNH2NPY2RMAOBDRD4
SCHEMBL8792330 0.85 KCNH2 (0.42) CCR6KCNH2NPY2RMAPTALDH1A1
SCHEMBL13897176 0.82 KCNH2 (0.38) CCR6KCNH2NPY2RCHRM2CHRM3
SCHEMBL13897271 0.81 CCR6 (0.39) CCR6KCNH2NPY2RTEAD1CHRM2
SCHEMBL8485996 0.80 CCR6 (0.38) CCR6KCNH2NPY2RNPC1RAB9A
SCHEMBL8791683 0.80 KCNH2 (0.48) CCR6KCNH2NPY2RTEAD1CHRM2
SCHEMBL13897193 0.78 MMP9 (0.40) CCR6KCNH2NPY2RMAPTALDH1A1
SCHEMBL8948394 0.78 NPY2R (0.46) CCR6KCNH2NPY2R
SCHEMBL7995779 0.77 PTGES (0.36) KCNH2NPY2RMAOB
SCHEMBL7983659 0.76 CYP1A1 (0.40) KCNH2NPY2RMAPTALDH1A1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639763-A FOR AGRICULTURAL APPLICATIONS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5569664-A AGRICULTURAL INSECTICIDES FMC CORPORATION (US) 1996-10-29 US disclosed
WO-1995023507-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED PHENYL)METHYL]PIPERIDINES FMC CORPORATION (US) 1995-09-08 WO disclosed